| CAS Number | 1068601-63-7 |
| Catalog Number | AG01BBCG |
| Chemical Name | methyl 4,4-dimethyl-2-methylidenepentanoate |
| IUPAC Name | methyl 4,4-dimethyl-2-methylidenepentanoate |
| InChI | InChI=1S/C9H16O2/c1-7(8(10)11-5)6-9(2,3)4/h1,6H2,2-5H3 |
| InChI Key | ZKHRKKCJSGTHHK-UHFFFAOYSA-N |
| MDL Number | MFCD28954076 |
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.2221 |
| SMILES | COC(C(CC(C)(C)C)=C)=O |
| Synonyms | methyl 4,4-dimethyl-2-methylidenepentanoate,
1068601-63-7,
SCHEMBL11032460,
ZINC219240927,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.225g/mol |
| Monoisotopic Mass | 156.115g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number